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Intricacies of van der Waals interactions in systems with elongated bonds revealed by electron-groups embedding and high-level coupled-cluster approaches.
Pastorczak, Ewa, Shen, Jun, Hapka, Michal, Piecuch, Piotr, Pernal, KatarzynaLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00797
Date:
September, 2017
File:
PDF, 3.08 MB
english, 2017